Recent Publications

Genome-inspired molecular identification in organic matter via Raman spectroscopy

Microsoft Word - carbon_10742_maintext-plaintext

Toward the Ultimate Limit of Connectivity in Quantum Dots with High Mobility and Clean Gaps

acsnano

Manipulating Electronic Energy Disorder in Colloidal Quantum Dot Solids for Enhanced Charge Carrier Transport

3manipulating electronic

Torsional Deformations in Subnanometer MoS Interconnecting Wires

4.nanolett
  1. Molecularly Engineered Azobenzene Derivatives for High Energy Density Solid-State Solar Thermal Fuels

    Eugene N. Cho, David Zhitomirsky, Grace G. D. Han, Yun Liu, and Jeffrey C. Grossman

    ACS Applied Materials & Interfaces, 2017

  2. Process Control of Atomic Layer Deposition Molybdenum Oxide Nucleation and Sulfidation to Large-Area MoS2 Monolayers

    Brent D. Keller , Adam Bertuch, J. Provine , Ganesh Sundaram, Nicola Ferralis, and Jeffrey C. Grossman

    Chem. Mater., 2017

  3. Plasma enhanced atomic layer deposition of molybdenum carbide and nitride with bis(tert-butylimido)bis(dimethylamido) molybdenum

    Adam Bertuch, Brent D. Keller, Nicola Ferralis, and Jeffrey C. Grossman, Ganesh Sundaram

    Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 2017

  4. Ultra-high aspect ratio functional nanoporous silicon via nucleated catalysts

    Jatin J. Patil, Brendan D. Smith and Jeffrey C. Grossman

    RSC Adv., 2017,7, 11537-11542

  5. Nanostructured Bulk-Heterojunction Solar Cells Based on Amorphous Carbon

    Francesca Risplendi, Giancarlo Cicero, and Jeffrey C. Grossman

    ACS Energy Lett., 2017, 2, pp 882–888

  6. Significantly reduced thermal conductivity and enhanced thermoelectric properties of single- and bi-layer graphene nanomeshes with sub-10 nm neck-width

    Jinwoo Oh, Hoyeon Yoo, Jaeyoo Choi, Jeong Yun Kim, Dong Su Lee, Myung Jong Kim, Jong-Chan Lee, Woo Nyon Kim, Jeffrey C. Grossman, Jong Hyuk Park, Sang-Soo Lee, Heesuk Kim, Jeong Gon Son

    Nano Energy 35 (2017): 26-35.

  7. Atomic Structure and Dynamics of Single Platinum Atom Interactions with Monolayer MoS2

    Huashan Li, Shanshan Wang, Hidetake Sawada, Grace GD Han, Thomas Samuels, Christopher S Allen, Angus I Kirkland, Jeffrey C Grossman, Jamie H Warner

    ACS nano (2017).

  8. Enhanced Cell Capture on Functionalized Graphene Oxide Nanosheets through Oxygen Clustering

    Neelkanth M Bardhan, Priyank V Kumar, Zeyang Li, Hidde L Ploegh, Jeffrey C Grossman, Angela M Belcher, Guan-Yu Chen

    ACS nano 11.2 (2017): 1548-1558.

  9. Street-heat: Controlling road temperature via low enthalpy geothermal energy

    A Mauro, JC Grossman

    Applied Thermal Engineering 110, 1653-1658

  10. Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies

    Kayahan Saritas, Tim Mueller, Lucas Wagner, and Jeffrey C. Grossman

    J. Chem. Theory Comput., 2017

  1. Genome-inspired molecular identification in organic matter via Raman spectroscopy

    Yun Liu, Nicola Ferralis, L. Taras Bryndzia, Jeffrey C. Grossman

    Carbon 101 (2016), 361.

  2. Toward the Ultimate Limit of Connectivity in Quantum Dots with High Mobility and Clean Gaps

    Huashan Li, David Zhitomirsky, Shreya Dave†, and Jeffrey C. Grossman

    ACS Nano 10, 606−614 (2016)

  3. Manipulating Electronic Energy Disorder in Colloidal Quantum Dot Solids for Enhanced Charge Carrier Transport

    Sangjin Lee , David Zhitomirsky , and Jeffrey C. Grossman

    Adv. Func. Mat. (2016)

  4. Torsional Deformations in Subnanometer MoS Interconnecting Wires

    Ai Leen Koh, Shanshan Wang, Can Ataca, Jeffrey C. Grossman, Robert Sinclair, and Jamie H. Warner

    Nano Lett. (2016)

  5. New Insights into the thermal reduction of graphen oxide: Impact of Oxygen Clustering

    Priyank V. Kumar, Neelkanth M. Bardhan, Guan-Yu Chen, Zeyang Li, Angela M. Belcher, Jeffrey C. Grossman

    Carbon 100 90-98 (2016)

  6. Multilayer Nanoporous Graphene Membranes for Water Desalination

    David Cohen-Tanugi, Li-Chiang Lin, and Jeffrey C. Grossman

    Nano Lett. (2016)

  7. Chemically driven interfacial coupling in charge-transfer mediated functional superstructures

    Beibei Xu, Huashan Li, Haoqi Li, Andrew J Wilson, Lin Zhang, Ke Chen, Katherine Willets, Fei Ren, Jeffrey C Grossman, Shenqiang Ren

    Nano Letters (2016)

  8. Catalyst Self-Assembly for Scalable Patterning of Sub 10 nm Ultrahigh Aspect Ratio Nanopores in Silicon

    BD Smith, JJ Patil, N Ferralis, JC Grossman

    ACS Applied Materials & Interfaces (2016)

  9. Photovoltaic Performance of PbS Quantum Dots Treated with Metal Salts

    Dong-Kyun Ko, Andrea Maurano, Su Kyung Suh, Donghun Kim, Gyu Weon Hwang, Jeffrey C Grossman, Vladimir Bulović, Moungi G Bawendi

    ACS Nano (2016)

  10. Tunable and Energetically Robust PbS Nanoplatelets for Optoelectronic Applications

    Huashan Li, David Zhitomirsky, Jeffrey C Grossman

    Chemistry of Materials (2016)

  11. Enhancing light emission efficiency without color change in post-transition metal chalcogenides

    Cong Wang, Shengxue Yang, Hui Cai, Can Ataca, Hui Chen, Xinzheng Zhang, Jingjun Xu, Bin Chen, Kedi Wu, Haoran Zhang, Luqi Liu, Jingbo Li, Jeffrey C Grossman, Sefaattin Tongay, Qian Liu

    Nanoscale (2016)

  12. Self-driven photodetector and ambipolar transistor in atomically thin GaTe-MoS2 pn vdW heterostructure

    Shengxue Yang, Cong Wang, Can Ataca, Yan Li, Hui Chen, Hui Cai, Aslihan Suslu, Jeffrey C Grossman, Chengbao Jiang, Qian Liu, Sefaattin Tongay

    ACS Applied Materials & Interfaces (2016)

  13. Rethinking Coal: Thin Films of Solution Processed Natural Carbon Nanoparticles for Electronic Devices.

    BD Keller, N Ferralis, JC Grossman

    Nano Letters (2016)

  14. Computer calculations across time and length scales in photovoltaic solar cells

    Marco Bernardi and Jeffrey C. Grossman

    Energy Environ. Sci., 2016, Advance Article

  15. Nanohole Structuring for Improved Performance of Hydrogenated Amorphous Silicon Photovoltaics

    Eric Johlin, Ahmed Al-Obeidi, Gizem Nogay, Michael Stuckelberger, Tonio Buonassisi, and Jeffrey C. Grossman

    ACS Appl. Mater. Interfaces, Article ASAP

  16. Optical and Electronic Properties of Two-Dimensional Layered Materials

    Marco Bernardi, Can Ataca, Maurizia Palummo, and Jeffrey C. Grossman

    Nanophotonics 2016; 5:111–125

  17. MoS2 Enhanced T-Phase Stabilization and Tunability Through Alloying

    Federico Raffone, Can Ataca, Jeffrey C. Grossman, and Giancarlo Cicero

    J. Phys. Chem. Lett., 2016, 7, pp 2304–2309

  18. Band Engineering by Controlling vdW Epitaxy Growth Mode in 2D Gallium Chalcogenides

    Hui Cai, Emmanuel Soignard, Can Ataca, Bin Chen, Changhyun Ko, Toshihiro Aoki, Anupum Pant, Xiuqing Meng, Shengxue Yang, Jeffrey Grossman, Frank D. Ogletree, Sefaattin Tongay

    Advanced Materials 2016

  19. Optimization of the Thermoelectric Figure of Merit in Crystalline C60 with Intercalation Chemistry

    Jeong Yun Kim and Jeffrey C. Grossman

    Nano Letters 2016

  20. Photon Energy Storage Materials with High Energy Densities Based on Diacetylene-Azobenzene Derivatives

    GD Han, SS Park, Y Liu, D Zhitomirsky, E Cho, M Dinca, JC Grossman

    J. Mater. Chem. A, 2016, Advance Article

  21. Conformal Electroplating of Azobenzene-Based Solar Thermal Fuels onto Large Area and Fiber Geometries

    David Zhitomirsky, Jeffrey C Grossman

    ACS Appl. Mater. Interfaces, 2016, 8 (39), pp 26319–26325

  22. Chemistry and Structure of Graphene Oxide via Direct Imaging

    Shreya H. Dave, Chuncheng Gong, Alex W. Robertson, Jamie H. Warner, and Jeffrey C. Grossman

    ACS Nano, 2016, 10 (8), pp 7515–7522

  23. Tuning Thermal Transport in Disordered Porous Materials via Phonon Bottleneck Identication

    G Romano, JC Grossman

    arXiv preprint arXiv:1612.05669

  1. Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalination

    Li-Chiang Lin, Jongwon Choi and Jeffrey C. Grossman

    Chem. Commun., 2015, 51, 14921 (2015)

  2. Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on a-Si:H

    David A. Strubbe, Eric C. Johlin, Timothy R. Kirkpatrick, Tonio Buonassisi, and Jeffrey C. Grossman

    Phys. Rev. B 92, 241202(R) (2015)

  3. Atomistic understandings of reduced graphene oxide as an ultrathin-film nanoporous membrane for separations

    Li-Chiang Lin & Jeffrey C. Grossman

    Nature Comms.6:8335 (2015

  4. Solid‐State Solar Thermal Fuels for Heat Release Applications

    D Zhitomirsky, E Cho, JC Grossman

    Advanced Energy Materials (2015)

  5. Unintended consequences: Why carbonation can dominate in microscale hydration of calcium silicates

    N Ferralis, D Jagannathan, JC Grossman, KJ Van Vliet

    Journal of Materials Research (2015)

  6. Functionalized Graphene Superlattice as a Single‐Sheet Solar Cell

    H Li, DA Strubbe, JC Grossman

    Advanced Functional Materials 25 (32), 5199-5205 (2015)

  7. Identifying and Eliminating Emissive Sub‐bandgap States in Thin Films of PbS Nanocrystals

    Gyu Weon Hwang, Donghun Kim, Jose M. Cordero, Mark W. B. Wilson, Chia-Hao M. Chuang, Jeffrey C. Grossman, Moungi G. Bawendi

    Advanced Materials 27.30: 4481-4486. (2015)

  8. Direct correlation between aromatization of carbon-rich organic matter and its visible electronic absorption edge

    Nicola Ferralis, , Yun Liu, Kyle D. Bake, Andrew E. Pomerantz, Jeffrey C. Grossman

    Carbon 88: 139-147. (2015)

  9. High-Efficiency Thermoelectrics with Functionalized Graphene

    JY Kim, JC Grossman

    Nano letters 15 (5), 2830-2835 (2015)

  10. Controlled Formation of Closed-edge Nanopores in Graphene

    Kuang He, Alex W. Robertson, Chuncheng Gong, Christopher S. Allen, Qiang Xu, henny Zandbergen, Jeffrey C. Grossman, Angus I. Kirkland and Jamie H. Warner

    Nanoscale, 7, 11602 (2015)

  11. Insight on Tricalcium Silicate Hydration and Dissolution Mechanism from Molecular Simulations

    Hegoi Manzano, Engin Durgun, Inigo Lopez-Arbeloa and Jeffrey C. Grossman

    Applied Materials and Interfaces (2015)

  12. Exciton Radiative Lifetimes in Two-Dimensional Transition Metal Dichalcogenides

    Maurizia Palummo, Marco Bernardi and Jeffrey C. Grossman

    Nano Letters 2015

  13. Nanoporous Graphene as a Reverse Osmosis Membrane: Recent Insights from Theory and Simulation

    David Cohen-Tanugi and Jeffrey C. Grossman

    Desalination 2015

  14. Predicting Electronic Structure in Tricalcium Silicate Phases with Impurities using First Principles

    Kayahan Saritas, Can Ataca and Jeffrey C. Grossman

    The Journal of Physical Chemistry C 2015

  15. Heat Conduction in Nanostructured Materials Predicted by Phonon Bulk Mean Free Path Distribution

    Giuseppe Romano and Jeffrey C. Grossman

    Journal of Heat Transfer 2015

  16. All-Polymeric Control of Nanoferronics

    Beibei Xu, Huashan Li, Asha Hall, Wenxiu Gao, Maogang Gong, Guoliang Yuan, Jeffrey C. Grossman, and Shenqiang Ren,

    Science Advances 2015

  17. New insights into the thermal reduction of graphene oxide: Impact of oxygen clustering

    PV Kumar, NM Bardhan, GY Chen, Z Li, AM Belcher, Jeffrey C. Grossman

    Carbon 2015

  18. Electronic topological transitions in Cd at high pressures

    Varadharajan Srinivasan, B. K. Godwal, Jeffrey C. Grossman, Raymond Jeanloz

    arXiv preprint arXiv:1511.01989

  19. Sound and noisy light: Optical control of phonons in photoswitchable structures

    SR Sklan, JC Grossman

    Physical Review B 92 (16), 165107

  20. Room temperature multiferroicity of charge transfer crystals

    W Qin, X Chen, H Li, M Gong, G Yuan, JC Grossman, M Wuttig, S Ren

    ACS nano 9 (9), 9373-9379

  21. Simulating nanoscale heat transport

    G Romano, JP Peraud, JC Grossman

    arXiv preprint arXiv:1506.05856

  1. Accelerating the Design of Solar Thermal Fuels Through High Throughput Simulations

    Yun Liu and Jeffrey C. Grossman

    Nano Letters 2014

  2. Graphene Oxide as a Promising Hole Injection Layer for MoS2-Based electronic Devices

    Tiziana Musso, Priyank V. Kumar, Adam S. Foster and Jeffrey C. Grossman

    ACS Nano 2014

  3. Mechanical Strength of Nanoporous Graphene as a Desalination Membrane

    David Cohen-Tanugi and Jeffrey C. Grossman

    Nano Letters 2014

  4. Hole-mobility-limiting Atomic Structures in Hydrogenated Amorphous Silicon

    Eric C. Johlin, B. Simmons, Tonio Buonassisi and Jeffrey C. Grossman

    Phys. Rev. B, 90, 104103 (2014)

  5. Water Permeability of Nanoporous Graphene at Realistic Pressures for Reverse Osmosis Desalination

    David Cohen-Tanugi and Jeffrey C. Grossman

    J. Chem. Phys., 141, 074704 (2014)

  6. Polychiral Semiconducting Nanotube-Fullerene Solar Cells

    Maogang Gong, Tejas A. Shastry, Yu Xie, Marco Bernardi, Daniel Jaslon, Kyles A. Luck, Tobin J. Marks, Jeffrey C. Grossman, Shenqiang Ren and Mark C. Hersam

    Nano Letters (2014)

  7. Structure-Property Relations in Amorphous Carbon for Photovoltaics

    Francesca Risplendi, Marco Bernardi and Jeffrey C. Grossman

    Applied Physics Letters, 105, 043903 (2014)

  8. Characterization, Stability, and Reactivity of Synthetic Calcium Silicate Surfaces from First Principles

    Engin Durgan, Hengoi Manzano, Priyank V. Kumar and Jeffrey C. Grossman

    J. Phys. Chem. C, 118 (28), 15214-15219 (2014)

  9. Toward Phonon-Boundary Engineering in Nanoporous Materials

    Giuseppe Romano and Jeffrey C. Grossman

    Applied Physics Letters, 105, 033116 (2014)

  10. Grain Boundary Engineering for Improved Thin Film Silicon Photovoltaics

    Rajamani Raghunathan, Eric C. Johlin and Jeffrey C. Grossman

    Nano Letters (2014)

  11. Phonon Diodes and Transistors from Magneto-Acoustics

    Sophia R. Sklan and Jeffrey C. Grossman

    New Journal of Physics, 16, 053029 (2014)

  12. Energy Level Modification in Lead Sulfide Quantum Dot Thin Films Through Ligand Exchange

    Patrick R. Brown,* Donghun Kim,* Richard R. Lunt, Ni Zhao, Moungi G. Bawendi, Jeffrey C. Grossman and Vladimir Bulovic

    ACS Nano (2014)

  13. Templated Assembly of Photoswitches Significantly Increases the Energy-Storage Capacity of Solar Thermal Fuels

    Timothy J. Kucharski, Nicola Ferralis, Alexie M. Kolpak, Jennie O. Zheng, Daniel G. Nocera and Jeffrey C. Grossman

    Nature Chemistry (2014)

  14. Origins of Hole traps in Hydrogenated Nanocrystalline and Amorphous Silicon Revealed through Machine Learning

    Tim Mueller, Eric Johlin and Jeffrey C. Grossman

    Phys. Rev. B, 89, 115202 (2014)

  15. Quantifying the Potential of Ultra-Permeable Membranes for Water Desalination

    David Cohen-Tanugi, Ronan K. McGivern, Shreya H. Dave, John H. Leinhard and Jeffrey C. Grossman

    Energy and Environmental Science (2014)

  1. Resonant Behavior in Heat Transfer across Weak Molecular Interfaces

    Sophia R. Sklan,* P. Alex Greaney* and Jeffrey C. Grossman

    Journal of Applied Physics (2013)

  2. Optimal Sunlight Harvesting in Photovoltaics and Photosynthesis

    Marco Bernardi and Jeffrey C. Grossman

    Journal of Physical Chemistry C (2013)

  3. Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots

    Donghun Kim, Dong-Ho Kim, Joo-Hyuong Lee, and Jeffrey C. Grossman

    Physical Review Letters 110, 196802 (2013)

  4. Point-defect Optical Transitions and Thermal Ionization Energies from Quantum Monte Carlo Methods: Application to the F-center defect in MgO

    Elif Ertekin, Lucas K. Wagner, and Jeffrey C. Grossman

    Physical Review B 87, 155210 (2013)

  5. Broad-Range Modulation of Light Emission in Two-Dimensional Semiconductors by Molecular Physisorption Gating

    Sefattin Tongay, Jian Zhou, Can Ataca, Jonathan Liu, Jeong Seuk Kang, Tyler S. Matthews, Long You, Jingbo Li, Jeffrey C. Grossman and Junqiao Wu

    Nano Letters (2013)

  6. Origins of Structural Hole Traps in Hydrogenrated Amorphous Silicon

    Eric Johlin, Lucas K. Wagner, Tonio Buonassisi and Jeffrey C. Grossman

    Physical Review Letters 110, 146805 (2013)

  7. High Surface Reactivity and Water Adsorption on NiFe2O4 (111) Surfaces

    Priyank V. Kumar, Michael P. Short, Sidney Yip, Bilge Yildiz and Jeffrey C. Grossman

    Journal of Physical Chemistry C (2013)

  8. Photoswitchable Molecular Rings for Solar-Thermal Energy Storage

    E. Durgun and Jeffrey C. Grossman

    Journal of Physical Chemistry Letters 4, 854-860 (2013)

  9. Hybrid chromophore/template nanostructures: A customizable platform material for solar energy storage and conversion

    Alexie M. Kolpak and Jeffrey C. Grossman

    Journal of Chemical Physics 138, 034303 (2013)

  10. The Impact of Functionalization on the Stability, Work Function, and Photoluminescence of Reduced Graphene Oxide

    Priyank V. Kumar, Marco Bernardi and Jeffrey C. Grossman

    ACS Nano (2013)

  11. Extraordinary Sunlight Absorption and 1nm-Thick Photovoltaics Using Two-Dimensional Monolayer Materials

    Marco Bernardi, Maurizia Palummo and Jeffrey C. Grossman

    Nano Letters (2013)

  12. Extended X-ray Absorption Fine Structure Spectroscopy of Selenium-Hyperdoped Silicon

    Bonna K. Newman, Elif Ertekin, Joseph T. Sullivan, Mark T. Winkler, Matthew A. Marcus, Sirine C. Fakra, Meng-Ju Sher, Eric Mazur, Jeffrey C. Grossman and Tonio Buonassisi

    J. Applied Physics, 114, 133507 (2013)

  13. Defects Activated Photoluminescence in Two-Dimensional Semiconductors: Interplay Between Bound, Charged and Free Excitons

    Sefaattin Tongay, Joonki Suh, Can Ataca, Wen Fan, Alexander Luce, Jeong Seuk Kang, Jonathan Liu, Changhyun Ko, Rajamani Raghunathan, Jian Zhou, Frank Ogletree, Jingbo Li, Jeffrey C. Grossman and Junqiao Wu

    Scientific Reports (2013)

  14. Scalable Enhancement of Graphene Oxide Properties by Thermally Driven Phase Transformation

    Priyank V. Kumar, Neelkanth M. Bardhan, Angela M. Belcher, and Jeffrey C. Grossman

    Nature Chemistry (2013)

  15. Rapid Windshield De-Icing using Solar Thermal Fuels

    Samuel W. L. Shames, Clare M. Zhang, Nicola Ferralis, and Jeffrey C. Grossman

    Int. Journal of Energy Efficient Vehicle Designs, Vol. 15, p. 1114 (2013)

  1. Nanocarbon-Based Photovoltaics

    M. Bernardi, J. Lohrman, P. V. Kumar, A. Kirkeminde, N. Ferralis, J. C. Grossman, and S. Ren

    ACS Nano (2012)

  2. Thermally Driven Crossover from Indirect toward Direct Bandgap in 2D Semiconductors: MoSe2 versus MoS2

    S. Tongay, J. Zhou, C. Ataca, K. Lo,T. S. Matthews, J. Li, J. C. Grossman, and J. Wu

    Nanoletters (2012)

  3. Water Desalination across Nanoporous Graphene

    D. Cohen-Tanugi and Jeffrey C. Grossman

    Nanoletters (2012)

  4. Interplay between intrinsic defects, doping, and free carrier concentration in SrTiO3 thin films

    E. Ertekin, V. Srinivasan, J. Ravichandran, P. B. Rossen, W. Siemons, A. Majumdar, R. Ramesh, and J. C. Grossman

    Physical Review B 85, 195460 (2012)

  5. X-ray Transient Absorption and Picosecond IR Spectroscopy of Fulvalene(tetracarbonyl)diruthenium on Photoexcitation

    M. R. Harpham, S. C. Nguyen, Z. Hou, J. C. Grossman, C. B. Harris, M. W. Mara, A. B. Stickrath, Y. Kanai, A. M. Kolpak, Donghwa Lee, Di-Jia Liu, J. P. Lomont, K. Moth-Poulsen, N. Vinokurov, L. X. Chen, and K. P. C. Vollhardt

    Angew. Chem. Int. Ed. (2012)

  6. Optoelectronic properties and excitons in hybridized boron nitride and graphene hexagonal monolayers

    Marco Bernardi, Maurizia Palummo and Jeffrey C. Grossman

    Physical Review Letters, in press (2012)

  7. Tuning metal hydride thermodynamics via size and composition: Li–H, Mg–H, Al–H, and Mg–Al–H nanoclusters for hydrogen storage

    Lucas K. Wagner, Eric H. Majzoub, Mark D. Allendorf, and Jeffrey C. Grossman

    Phys. Chem. Chem. Phys. (2012)

  8. Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles

    E. Durgun, H. Manzano, R. J. M. Pellenq, and Jeffrey C. Grossman

    Chem. Mat. (2012)

  9. Solar energy generation in three dimensions

    Marco Bernardi, Nicola Ferralis, Jin H. Wan, Rachelle Villalon and Jeffrey C. Grossman

    Energy and Environmental Science (2012)

  10. Set in stone? A perspective on the concrete sustainability challenge

    Krystyn Van Vliet and Roland Pellenq and Markus J. Buehler and Jeffrey C. Grossman and Hamlin Jennings and Franz-Josef Ulm and Sidney Yip

    MRS Bulletin, Volume 37, Issue 04, April 2012, pp 395-402.

  11. First-Principles Assessment of the Reactions of Boric Acid on NiO(001) and ZrO2(111) Surfaces

    Priyank V. Kumar, Michael P. Short, Sidney Yip, Bilge Yildiz and Jeffrey C. Grossman

    Journal of Physical Chemistry C (2012)

  12. Mesoscale modeling of phononic thermal conductivity of porous Si: interplay between porosity, morphology and surface roughness

    Giuseppe Romano, Aldo Di Carlo and Jeffrey C. Grossman

    Journal of Computational Electronics 11, 8 (2012)

  13. Structural origins of intrinsic stress in amorphous silicon thin films

    Eric Johln, Nouar Tabet, Sebastia 'n Castro-Galnares, Amir Abdallah, Mariana I. Bertoni, Tesleem Asafa, Jeffrey C. Grossman, Syed Said, and Tonio Buonassisi

    Physical Review B 85, 075202 (2012)

  14. Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin

    Elif Ertekin, Mark T. Winkler, Daniel Recht, Aurore J. Said, Michael J. Aziz, Tonio Buonassisi and Jeffrey C. Grossman

    Physical Review Letters 108, 026401 (2012)

  15. Thermal Transport in Functionalized Graphene

    Jeong Yun Kim, Joo-Hyoung Lee, and Jeffrey C. Grossman

    ACS Nano, 2012, 6 (10), pp 9050–9057

  1. Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations

    Hegoi Manzano, Engin Durgun, Mohammed Javad Abdolhosseine Qomi, Franz-Josef Ulm, Roland. J. M. Pellenq, and Jeffrey. C. Grossman

    Crystal Growth&Design 0, 0 (2011)

  2. Single-Molecule-Resolved Structural Changes Induced by Temperature and Light in Surface-Bound Organometallic Molecules Designed for Energy Storage

    Jongweon Cho, Luis Berbil-Bautista, Ivan V. Pechenezhskiy, Niv Levy, Steven K. Meier, Varadharajan Srinivasan, Yosuke Kanai, Jeffrey C. Grossman, K. Peter C. Vollhardt, and Michael F. Crommie

    Preview Single-Molecule-Resolved Structural Changes Induced by Temperature and Light in Surface-Bound Organometallic Molecules Designed for Energy Storage Jongweon Cho, Luis Berbil-Bautista, Ivan V. Pechenezhskiy, Niv Levy, Steven K. Meier, Varadharajan Srinivasan, Yosuke Kanai, Jeffrey C. Grossman, K. Peter C. Vollhardt, and Michael F. Crommie ACSNano 5, 3701 (2011)

  3. Phonostat: Thermostatting phonons in molecular dynamics simulations

    Rajamani Raghunathan, P. Alex Greaney, and Jeffrey C. Grossman

    J. Chem. Phys. 134, 214117 (2011)

  4. Thermal Transport in Nanoporous Silicon: Interplay between Disorder at Mesoscopic and Atomic Scales

    Yuping He, Davide Donadio, Joo-Hyoung Lee, Jeffrey C. Grossman, and Giulia Galli

    ACS Nano 5, 1839 (2011)

  5. Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels

    A. Kolpak and J. C. Grossman

    Nanoletters 11, 3156 (2011)

  6. Toward Efficient Carbon Nanotube/P3HT Solar Cells: Active Layer Morphology, Electrical, and Optical Properties

    Shenqiang Ren, Marco Bernardi, Richard R. Lunt, Vladimir Bulovic, Jeffrey C. Grossman and Silvija Gradecak

    Nano Letters 11(12), 5316–5321 (2011)

  7. Interplay of Wetting and Elasticity in the Nucleation of Carbon Nanotubes

    Dmitri Schebarchov, Shaun C. Hendy, Elif Ertekin and Jeffrey C. Grossman

    Physical Review Letters 107, 185503 (2011)

  8. Energy gap of Kronig-Penney-type hydrogenated graphene superlattices

    Joo-Hyoung Lee and Jeffrey C. Grossman

    Physical Review B 84(11), 113413 (2011)

  9. MPemba-Like Behavior in Carbon Nanotube Resonators

    P. Alex Greaney, Giovanna Lani, Giancarlo Cicero and Jeffrey C. Grossman

    Metallurgical and Materials Transactions A 42A 3907-3912 (2011)

  1. Self-Assembly and its impact on Interfacial Charge Transfer in Carbon Nanotube/P3HT Solar Cells

    M. Bernardi, M. Giulianini, and J. C. Grossman

    ACS Nano 4, 6599 (2010)

  2. Mechanism of Thermal Reversal of the (Fulvalene)tetracarbonyl-diruthenium Photoisomerization: Toward Molecular Solar–Thermal Energy Storage

    Y. Kanai, V. Srinivasan, S. K. Meier, K. P. C. Vollhardt, and J. C. Grossman

    Angewandte Chemie International Edition 49, 8926 (2010)

  3. Magnetic Properties in Graphene-Graphane Superlattices

    J. H. Lee and J. C. Grossman

    Applied Physics Letters 97, 133102 (2010)

  4. Quantum Monte Carlo Calculations for Minimum Energy Structures

    L. K. Wagner and J. C. Grossman

    Physical Review Letters 104, 210201 (2010)

  5. Atomistic Oxidation Mechanism of a Carbon Nanotube in Nitric Acid

    Y. Kanai, V. R. Khalap, P. G. Collins, and J. C. Grossman

    Physical Review Letters 104, 66401 (2010)

  6. Getting Down to Business: Using Speedstorming to Initiate Creative Cross-Disciplinary Collaboration

    C. K. Joyce, K. E. Jennings, J. Hey, J. C. Grossman, and T. Kalil

    Creativity and Innovation Management 19, 57 (2010)

  7. Three-dimensional photovoltaics

    B. Meyrs, M. Bernardi, and J. C. Grossman

    Applied Physics Letters 96, 71902 (2010)

  8. Enhancing the Thermoelectric Power Factor with Highly Mismatched Isoelectronic Doping

    J.-H. Lee, J. Wu, and J. C. Grossman

    Physical Review Letters 104, 16602 (2010)

  9. Charge separation in nanoscale photovoltaic materials: recent insights from first-principles electronic structure theory

    Y. Kanai, Z. Wu, and J. C. Grossman

    Journal of Materials Chemistry 20, 1053 (2010)